SCHEMBL820688

SCHEMBL820688

CC(=O)n1cc(C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
EPHX1 P07099 1/20 0.35
CFD P00746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD3 Q15059 2/20 0.33
HTR6 P50406 1/20 0.33
TACR1 P25103 3/20 0.33
DPP4 P27487 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL817915 1.00 GPR119 (0.36) GPR119EPHX1CFDL3MBTL1SMN1; SMN2
SCHEMBL819716 0.92 GPR119 (0.35) GPR119EPHX1CFDL3MBTL1SMN1; SMN2
SCHEMBL2449390 0.85 APP (0.42) GPR119EPHX1CFDBRD3
SCHEMBL12303250 0.85 APP (0.42) GPR119EPHX1CFDBRD3
SCHEMBL375220 0.79 GPR84 (0.41) GPR119BRD3
SCHEMBL820521 0.79 GPR84 (0.41) GPR119BRD3
SCHEMBL15501197 0.78 GPR119 (0.34) GPR119EPHX1SMN1; SMN2BRD3TACR1
SCHEMBL19540506 0.75 HTR6 (0.44) EPHX1HTR6
SCHEMBL30458273 0.73 L3MBTL1 (0.51) GPR119EPHX1L3MBTL1MEN1KMT2A
SCHEMBL18036681 0.73 L3MBTL1 (0.51) GPR119EPHX1L3MBTL1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110305777-A1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-15 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-7985735-B2 mimetics of the activity of the N-terminal portion of Smac/tertiary binding structure to IAPs, can be combined with chemotherapeutic agents like topoisomerase inhibitors, kinase inhibitors, NSAIDs, taxanes and platinum containing compounds; increased cell permeability, water solubility; antitumor agents TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-07-26 US disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080020986-A1 DIMERIC IAP INHIBITORS BIRC2, BIRC7, BIRC8 GPR119 1582/4885EPHX1 3997/4885CFD 4376/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 GPR119 969/4885EPHX1 3662/4885CFD 3060/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 GPR119 604/4885EPHX1 4330/4885CFD 4354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.